N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide

C12H10ClF3N2O2 — CID 57228366

IUPACN-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCOc1ccc(Cl)c2[nH]ccc12)C(F)(F)F
InChIInChI=1S/C12H10ClF3N2O2/c13-8-1-2-9(7-3-4-17-10(7)8)20-6-5-18-11(19)12(14,15)16/h1-4,17H,5-6H2,(H,18,19)
InChIKeyNBDWWSXGBUDWGI-UHFFFAOYSA-N
MW306.67 g/mol
LogP2.88
Rot. Bonds4

About N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide

N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 57228366) has the molecular formula C12H10ClF3N2O2 and a molecular weight of 306.67 g/mol. Its IUPAC name is N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide
PubChem CID57228366
Molecular FormulaC12H10ClF3N2O2
Molecular Weight306.67 g/mol
Exact Mass306.04
IUPAC NameN-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCOc1ccc(Cl)c2[nH]ccc12)C(F)(F)F
InChIInChI=1S/C12H10ClF3N2O2/c13-8-1-2-9(7-3-4-17-10(7)8)20-6-5-18-11(19)12(14,15)16/h1-4,17H,5-6H2,(H,18,19)
InChIKeyNBDWWSXGBUDWGI-UHFFFAOYSA-N
XLogP2.88
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.67
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 2063074
2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide
CID 91358246
methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
CID 113102971
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
N-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 156792793
2,2,2-trifluoro-N-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]acetamide
CID 542557
4-(2-bromo-4-tert-butylphenoxy)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]butanamide
CID 108932581
N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]-2,2,2-trifluoroacetamide
CID 19356554
N-[2-[(3-chloro-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]ethyl]-2,2,2-trifluoroacetamide
CID 86614278
N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
CID 99711043
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 113102845
N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 108932586

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide (CID 57228366) is N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide is O=C(NCCOc1ccc(Cl)c2[nH]ccc12)C(F)(F)F.
What is the InChIKey of N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is NBDWWSXGBUDWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O2/c13-8-1-2-9(7-3-4-17-10(7)8)20-6-5-18-11(19)12(14,15)16/h1-4,17H,5-6H2,(H,18,19).
What are the key properties of N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 306.67 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 57228366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).